6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid

C16H9F4NO2 — CID 168510074

IUPAC6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H9F4NO2/c17-12-5-8(3-4-11(12)16(18,19)20)9-1-2-10-7-14(15(22)23)21-13(10)6-9/h1-7,21H,(H,22,23)
InChIKeyCLQAGSFPOCJBFE-UHFFFAOYSA-N
MW323.25 g/mol
LogP4.69
Rot. Bonds2

About 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid

6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid (PubChem CID 168510074) has the molecular formula C16H9F4NO2 and a molecular weight of 323.25 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
PubChem CID168510074
Molecular FormulaC16H9F4NO2
Molecular Weight323.25 g/mol
Exact Mass323.06
IUPAC Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H9F4NO2/c17-12-5-8(3-4-11(12)16(18,19)20)9-1-2-10-7-14(15(22)23)21-13(10)6-9/h1-7,21H,(H,22,23)
InChIKeyCLQAGSFPOCJBFE-UHFFFAOYSA-N
XLogP4.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374
6-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylic acid
CID 168510073
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
6-(4-tert-butylphenyl)-1H-indole-2-carboxylic acid;ethane;propane
CID 142426033
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
CID 141128884
2-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405231
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
6-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-indole-2-carboxylic acid
CID 69233960
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid (CID 168510074) is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid is O=C(O)c1cc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2[nH]1.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?
The InChIKey is CLQAGSFPOCJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO2/c17-12-5-8(3-4-11(12)16(18,19)20)9-1-2-10-7-14(15(22)23)21-13(10)6-9/h1-7,21H,(H,22,23).
What are the key properties of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid has a molecular weight of 323.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 168510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).